1-Butyl-3-(4-methylsulfanylphenyl)urea
TL;DR: 1-Butyl-3-(4-methylsulfanylphenyl)urea (CAS 59000-21-4) is a chemical compound with molecular formula C12H18N2OS and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(4-methylsulfanylphenyl)urea
Also Known As: 1-butyl-3-(4-methylsulfanylphenyl)urea, N-Butyl-N'-[4-(methylsulfanyl)phenyl]urea
| Molecular Formula | C12H18N2OS |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.11398 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 59000-21-4 |
|---|---|
| SMILES | CCCCNC(=O)NC1=CC=C(C=C1)SC |
| InChIKey | MEIQKPHPYCHVNA-UHFFFAOYSA-N |
Product Overview
1-Butyl-3-(4-methylsulfanylphenyl)urea (CAS 59000-21-4), with molecular formula C12H18N2OS and molecular weight 238.11 g/mol. IUPAC: 1-butyl-3-(4-methylsulfanylphenyl)urea.
Chemical Property Profile of 1-Butyl-3-(4-methylsulfanylphenyl)urea
Property Insights of 1-Butyl-3-(4-methylsulfanylphenyl)urea
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(4-methylsulfanylphenyl)urea. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-(4-methylsulfanylphenyl)urea. Following Lipinski's Rule of Five, 1-Butyl-3-(4-methylsulfanylphenyl)urea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butyl-3-(4-methylsulfanylphenyl)urea?
The CAS number of 1-Butyl-3-(4-methylsulfanylphenyl)urea is 59000-21-4.
What is the molecular formula of 1-Butyl-3-(4-methylsulfanylphenyl)urea?
The molecular formula of 1-Butyl-3-(4-methylsulfanylphenyl)urea is C12H18N2OS.
What is the molecular weight of 1-Butyl-3-(4-methylsulfanylphenyl)urea?
The molecular weight of 1-Butyl-3-(4-methylsulfanylphenyl)urea is 238.11 g/mol.
Where can I buy 1-Butyl-3-(4-methylsulfanylphenyl)urea?
You can request a quote for 1-Butyl-3-(4-methylsulfanylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-(4-methylsulfanylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(4-methylsulfanylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.